SCHEMBL9909660

SCHEMBL9909660

O=C(CO)c1ccc(C(=O)CF)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
ALPI P09923 1/20 0.41
GAA P10253 1/20 0.41
ALPG P10696 1/20 0.41
APEX1 P27695 1/20 0.41
CASP3 P42574 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30694356 0.87 KDM4E (0.50) PTPN1NPC1RAB9AKDM4ETDP1
SCHEMBL14013264 0.81 PRSS1 (0.45) PTPN1NPC1RAB9AKDM4ETDP1
SCHEMBL13831355 0.81 RAB9A (0.39) PTPN1NPC1RAB9AKDM4ETDP1
SCHEMBL310879 0.80 NPC1 (0.60) PTPN1NPC1RAB9AKDM4ETDP1
SCHEMBL1146715 0.80 TSHR (0.60) ALDH1A1SMN1; SMN2ALOX15CES1
SCHEMBL1094528 0.80 NPC1 (0.64) PTPN1NPC1RAB9AMEN1MAPT
SCHEMBL11571 0.80 NPC1 (0.64) PTPN1NPC1RAB9AMEN1MAPT
SCHEMBL743683 0.78 TPMT (0.52) PTPN1NPC1RAB9AACHEGSK3B
SCHEMBL3112630 0.78 GSK3B (0.61) NPC1RAB9ATDP1ALDH1A1GAA
SCHEMBL691537 0.78 GSK3B (0.64) PTPN1NPC1RAB9AKDM4EGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 US disclosed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 US disclosed
US-9428517-B2 Protease inhibitors MEDIVIR AB (SE) 2016-08-30 US disclosed
US-20160068539-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2016-03-10 US disclosed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US disclosed
US-20140221654-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2014-08-07 US disclosed
US-8735395-B2 Protease inhibitors MEDIVIR AB (SE) 2014-05-27 US disclosed
US-20130231349-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2013-09-05 US disclosed
US-8466158-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2013-06-18 US disclosed
US-8426421-B2 Protease inhibitors MEDIVIR AB (SE) 2013-04-23 US disclosed
US-20120289519-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-11-15 US disclosed
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-08-30 US disclosed
US-8242119-B2 Protease inhibitors MEDIVIR AB (SE) 2012-08-14 US disclosed
US-8198283-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2012-06-12 US disclosed
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2011-05-05 US disclosed
US-20110039862-A1 Protease Inhibitors MEDIVIR AB (SE) 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289519-A1 PROTEASE INHIBITORS F2RL1, F2RL3, PREP PTPN1 3495/4885NPC1 1931/4885RAB9A 2331/4885
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV PTPN1 3272/4885NPC1 3347/4885RAB9A 806/4885
US-20160068539-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS PTPN1 3792/4885NPC1 303/4885RAB9A 1811/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 PTPN1 4204/4885NPC1 463/4885RAB9A 1940/4885
US-20110039862-A1 Protease Inhibitors CTSK, CTSF, CTSS PTPN1 3780/4885NPC1 300/4885RAB9A 1774/4885
US-20170166538-A1 PROTEASE INHIBITORS MMP8, CTSK, CTSS PTPN1 3714/4885NPC1 260/4885RAB9A 1077/4885
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV PTPN1 3272/4885NPC1 3347/4885RAB9A 806/4885
US-20130231349-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS PTPN1 3780/4885NPC1 300/4885RAB9A 1774/4885
US-20140221654-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS PTPN1 3792/4885NPC1 303/4885RAB9A 1811/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.